![CAS 1269052-70-1 [3-(1H-imidazol-5-yl)phenyl]amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1269052-70-1.gif)
CAS RN: 1269052-70-1
[3-(1H-imidazol-5-yl)phenyl]amine hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-034189
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1269052-70-1 / 3-(1H-imidazol-5-yl)aniline;hydrochloride
Basic Information
CAS
1269052-70-1
Multi CAS
No
Molecular Formula
C9H10ClN3
Molecular Weight
195.650000
Exact Mass
195.056325
SMILES
C1=CC(=CC(=C1)N)C2=CN=CN2.Cl
InChI
InChI=1S/C9H9N3.ClH/c10-8-3-1-2-7(4-8)9-5-11-6-12-9;/h1-6H,10H2,(H,11,12);1H
InChIKey
IFYXKWHSCFOXJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.68
TPSA
54.7
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
2.08
Consensus LogP
2
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1269106-47-9 2-Amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1269106-47-9.gif)
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